N-[(3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Properties Image MNX_ID MNXM1113303 reference chebi:147550 formula C54H91N3O41 global charge 0 mol weight 1438.302 InChIKey MPWNAQNLXRZFEN-OPNCUKNBSA-N InChI InChI=1S/C54H91N3O41/c1-12(65)55-23-32(74)41(20(9-63)85-47(23)83)94-53-40(82)45(97-52-39(81)44(30(72)19(8-62)89-52)96-49-25(57-14(3)67)43(29(71)18(7-61)86-49)95-51-38(80)35(77)27(69)16(5-59)88-51)31(73)22(92-53)11-84-54-46(36(78)28(70)17(6-60)90-54)98-48-24(56-13(2)66)33(75)42(21(10-64)91-48)93-50-37(79)34(76)26(68)15(4-58)87-50/h15-54,58-64,68-83H,4-11H2,1-3H3,(H,55,65)(H,56,66)(H,57,67)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44+,45+,46+,47?,48+,49+,50+,51+,52-,53+,54+/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@@H]4O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C54H91N3O41/c1-12(65)55-23-32(74)41(20(9-63)85-47(23)83)94-53-40(82)45(97-52-39(81)44(30(72)19(8-62)89-52)96-49-25(57-14(3)67)43(29(71)18(7-61)86-49)95-51-38(80)35(77)27(69)16(5-59)88-51)31(73)22(92-53)11-84-54-46(36(78)28(70)17(6-60)90-54)98-48-24(56-13(2)66)33(75)42(21(10-64)91-48)93-50-37(79)34(76)26(68)15(4-58)87-50/h15-54,58-64,68-83H,4-11H2,1-3H3,(H,55,65)(H,56,66)(H,57,67)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42-,43-,44+,45+,46+,47?,48+,49+,50+,51+,52-,53+,54+/m1/s1 SMILES (mnx) [CH3:1][C:12](=[N:55][C@@H:23]1[C@@H:32]([OH:74])[C@H:41]([O:94][C@H:53]2[C@@H:40]([OH:82])[C@@H:45]([O:97][C@@H:52]3[C@@H:39]([OH:81])[C@@H:44]([O:96][C@H:49]4[C@H:25]([N:57]=[C:14]([CH3:3])[OH:67])[C@@H:43]([O:95][C@H:51]5[C@H:38]([OH:80])[C@@H:35]([OH:77])[C@@H:27]([OH:69])[C@@H:16]([CH2:5][OH:59])[O:88]5)[C@H:29]([OH:71])[C@@H:18]([CH2:7][OH:61])[O:86]4)[C@H:30]([OH:72])[C@@H:19]([CH2:8][OH:62])[O:89]3)[C@H:31]([OH:73])[C@@H:22]([CH2:11][O:84][C@@H:54]3[C@@H:46]([O:98][C@H:48]4[C@H:24]([N:56]=[C:13]([CH3:2])[OH:66])[C@@H:33]([OH:75])[C@H:42]([O:93][C@H:50]5[C@H:37]([OH:79])[C@@H:34]([OH:76])[C@@H:26]([OH:68])[C@@H:15]([CH2:4][OH:58])[O:87]5)[C@@H:21]([CH2:10][OH:64])[O:91]4)[C@@H:36]([OH:78])[C@H:28]([OH:70])[C@@H:17]([CH2:6][OH:60])[O:90]3)[O:92]2)[C@@H:20]([CH2:9][OH:63])[O:85][CH:47]1[OH:83])[OH:65]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0